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4-(Hydroxycarbonyl)-12-(1'-oxopentyl)-[2.2]-paracyclophane

View entire compound with spectra: 1 MS (GC)

4-(Hydroxycarbonyl)-12-(1'-oxopentyl)-[2.2]-paracyclophane
SpectraBase Compound ID I8SO9udQgUY
InChI InChI=1S/C22H24O3/c1-2-3-4-21(23)19-13-15-5-9-17(19)10-6-16-8-12-18(11-7-15)20(14-16)22(24)25/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3,(H,24,25)
InChIKey VDISZFDYZIULES-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGXHYnUSFn5
Name 4-(Hydroxycarbonyl)-12-(1'-oxopentyl)-[2.2]-paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-2-3-4-21(23)19-13-15-5-9-17(19)10-6-16-8-12-18(11-7-15)20(14-16)22(24)25/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3,(H,24,25)
InChIKey VDISZFDYZIULES-UHFFFAOYSA-N
Molecular Weight 336.431 g/mol
SMILES OC(c1c2ccc(c1)CCc1c(C(=O)CCCC)cc(CC2)cc1)=O
SPLASH splash10-0a4i-0829000000-42400ef2e9cc8bf9cbe7
Source of Spectrum QF-46-1899-5
Wiley ID 833663